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C–H···π and C–H···O Interactions in Coumarin 6 : 3-(2-benzothiazolyl)-7-(diethylamino)-coumarin

  • Textile Coloration and Finishing
  • Abbr : Text. Color. and Finish.
  • 2010, 22(2), pp.83-87
  • Publisher : The Korean Society Of Dyers And Finishers
  • Research Area : Engineering > Fiber Engineering > Dyeing Engineering

Young-A Son 1 Xiaochuan Li 1

1충남대학교

Accredited

ABSTRACT

Crystal structure of coumarin 6 has been solved by X-ray diffraction. The crystals are triclinic, space group P-1, with a=8.823(2) Å, b=8.898(2) Å, c=11.025(9) Å, α=86.41(3)°, β=85.39(3)°, γ=76.23(3)°, Mr=350.42, V=837.1(3) Å3, Z=2 and R=0.0516. The molecules are packed parallel to each other by weaker π···π and C–H···π interactions. The detailed geometry of C–H···π interactions were discussed. The hydrogen bonds and non-traditional C–H···O interactions join the no-parallel molecules together. All the molecules packed wall-like with the molecular brick.

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